{"id":"W4388622828","doi":"10.1021/acs.inorgchem.3c02140","title":"Interactions between Metals and Eudistomins of Ascidian Origin: A Computational Study","year":2023,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Density functional theory; Uranyl; Sulfate; Metal; Denticity; Thorium; Sulfuric acid; Metal ions in aqueous solution; Ion; Hydrometallurgy; Inorganic chemistry; Computational chemistry; Uranium; Organic chemistry; Metallurgy","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004510773,0.0008570424,0.001525601,0.0009011419,0.001473328,0.001186569,0.001809897,0.002009066,0.005152513],"category_scores_gemma":[0.001068604,0.0005509111,0.001462485,0.001260771,0.0007926316,0.0007617983,0.001024574,0.001191041,0.000348277],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001226689,"about_ca_system_score_gemma":0.001833669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02147638,"about_ca_topic_score_gemma":0.01699687,"domain_scores_codex":[0.9998348,0.00004385263,0.000008030323,0.00002532838,0.0000357432,0.00005226709],"domain_scores_gemma":[0.9991731,0.0005441252,0.00005821136,0.00005377631,0.00009830931,0.00007250541],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003013682,0.0003216176,0.006970791,0.0006505608,0.0002135599,0.0007219004,0.0001078751,0.9715573,0.001725937,0.01070486,0.002663392,0.004060771],"study_design_scores_gemma":[0.0001165078,0.00009367199,0.001098649,0.00002280162,0.00004846171,0.0000530998,0.00009572715,0.9953433,0.0003563749,0.001755813,0.001002638,0.00001287855],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.970592,0.001240694,0.007576055,0.0009777248,0.00008604708,0.00008649589,0.002178575,0.000212993,0.01704933],"genre_scores_gemma":[0.9809206,0.001052574,0.01255355,0.0003451809,0.00004678261,0.000269594,0.002115106,0.00007897898,0.002617657],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02147638,"threshold_uncertainty_score":0.04270273,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02300845655499808,"score_gpt":0.296512055947233,"score_spread":0.273503599392235,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}